CAS 101-98-4

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2 End Use APIs
9 Related Intermediates

Chemistry

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Also known as: 101-98-4, 2-(benzyl(methyl)amino)ethanol, 2-[benzyl(methyl)amino]ethanol, Ethanol, 2-[methyl(phenylmethyl)amino]-, 2-(benzylmethylamino)ethanol, N-methyl-n-benzylethanolamine

Molecular Formula

C₁₀H₁₅NO

Molecular Weight

165.23 g/mol

InChI Key

WOUANPHGFPAJCA-UHFFFAOYSA-N

FDA UNII

61LYX8089C

1 2D Structure

CAS 101-98-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-[benzyl(methyl)amino]ethanol

2.1.2 InChI

InChI=1S/C10H15NO/c1-11(7-8-12)9-10-5-3-2-4-6-10/h2-6,12H,7-9H2,1H3

2.1.3 InChI Key

WOUANPHGFPAJCA-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CN(CCO)CC1=CC=CC=C1

2.2 Other Identifiers

2.2.1 UNII

61LYX8089C

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 101-98-4

2. 2-(benzyl(methyl)amino)ethanol

3. 2-[benzyl(methyl)amino]ethanol

4. Ethanol, 2-[methyl(phenylmethyl)amino]-

5. 2-(benzylmethylamino)ethanol

6. N-methyl-n-benzylethanolamine

7. Ethanol, 2-(benzylmethylamino)-

8. Ethanol, 2-(methyl(phenylmethyl)amino)-

9. N-benzyl-n-methyl-ethanolamine

10. 2-(benzyl-methyl-amino)-ethanol

11. N-benzyl-n-methyl-2-aminoethanol

12. 61lyx8089c

13. 2-(n-benzyl-n-methylamino)ethanol

14. 2-[methyl(phenylmethyl)amino]ethanol

15. Mfcd00002847

16. 2-[n-benzyl-n-methylamino]ethanol

17. Unii-61lyx8089c

18. N-benzyl-n-methyl-n-ethanolamine

19. Einecs 202-994-3

20. 2-[benzyl(methyl)amino]ethan-1-ol

21. Nmnbea

22. Ai3-26797

23. N-benzyl-n-methylethanolamne

24. 2-(methylbenzylamino)ethanol

25. Schembl135868

26. N-benzyl-n-methyl Ethanolamine

27. N-benzyl-n-methyl Ethanol Amine

28. Dtxsid5059242

29. Zinc389763

30. 2-(n-benzyl-n-methylamino)-ethanol

31. Akos009058975

32. 2-(n-benzyl-n-methylamino)ethan-1-ol

33. Ac-5627

34. Cs-w023196

35. Sb76028

36. N-(2-hydroxyethyl)-n-benzyl-methylamine

37. Ds-18032

38. Sy025492

39. Db-000319

40. Ft-0689183

41. .beta.-(n-benzyl-n-methylamino)ethanol

42. D70360

43. N-benzyl-n-methyl-ethanolamine [usp-rs]

44. J-000530

45. J-523483

46. N-benzyl-n-methylethanolamine, Technical Grade, 90%

47. Q27263356

48. Z137706074

49. N-benzyl-n-methylethanolamine, United States Pharmacopeia (usp) Reference Standard

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₅NO
Molecular Weight	165.23 g/mol
XLogP3	1.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	165.115364102 g/mol
Monoisotopic Mass	165.115364102 g/mol
Topological Polar Surface Area	23.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	110
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1